Bicarbonate Ion → HCID 178430772, compound

HRID 1550231Notes

Reaction equation

HRID 1550231 reaction equation
[C:1]([CH3:2])([CH3:3])([CH3:4])[O:5][C:6](=[O:7])[N:8]1[CH2:9][CH:10]2[CH2:11][c:12]3[cH:13][cH:14][c:15]([Br:22])[n:16][c:17]3[N:18]2[CH:19]([CH3:21])[CH2:20]1.[C:23]([c:24]1[cH:25][cH:26][cH:27][cH:28][cH:29]1)([c:30]1[cH:31][cH:32][cH:33][cH:34][cH:35]1)=[NH:36].[C:43](=[O:44])([OH:45])[O-:46].[CH3:37][C:38]([CH3:39])([O-:40])[CH3:41].[CH3:48][c:49]1[cH:50][cH:51][cH:52][cH:53][cH:54]1.[CH:111]([Cl:112])([Cl:113])[Cl:114].[Na+:42].[Na+:47].[O:57]=[C:58]([CH:59]=[CH:60][c:61]1[cH:62][cH:63][cH:64][cH:65][cH:66]1)[CH:67]=[CH:68][c:69]1[cH:70][cH:71][cH:72][cH:73][cH:74]1.[O:75]=[C:76]([CH:77]=[CH:78][c:79]1[cH:80][cH:81][cH:82][cH:83][cH:84]1)[CH:85]=[CH:86][c:87]1[cH:88][cH:89][cH:90][cH:91][cH:92]1.[O:93]=[C:94]([CH:95]=[CH:96][c:97]1[cH:98][cH:99][cH:100][cH:101][cH:102]1)[CH:103]=[CH:104][c:105]1[cH:106][cH:107][cH:108][cH:109][cH:110]1.[Pd:55].[Pd:56]>>[C:1]([CH3:2])([CH3:3])([CH3:4])[O:5][C:6](=[O:7])[N:8]1[CH2:9][CH:10]2[CH2:11][c:12]3[cH:13][cH:14][c:15]([N:36]=[C:23]([c:24]4[cH:25][cH:26][cH:27][cH:28][cH:29]4)[c:30]4[cH:31][cH:32][cH:33][cH:34][cH:35]4)[n:16][c:17]3[N:18]2[CH:19]([CH3:21])[CH2:20]1

Participants

10

Reactant 9

HCID 769Bicarbonate IonHCID 923Sodium ion2×HCID 1140TolueneHCID 6212ChloroformHCID 23938Palladium2×HCID 95417Dibenzylidene acetone3×HCID 136809Benzophenone imineHCID 45749132-Methylpropan-2-olateHCID 87797446Tert-butyl 4-bromo-13-methyl-1,3,11-triazatricyclo[7.4.0.02,7]trideca-2(7),3,5-triene-11-carboxylate

Product 1

HCID 178430772HCID 178430772, compound

Sources & evidence

ORD record
ord-dc6d49a53b8c450db256f0f883164711
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (1/10)

Reaction notes

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