Hydrochloric Acid → HCID 22479873, compound

HRID 1118643Notes

Reaction equation

HRID 1118643 reaction equation
[CH3:13][N:14]([CH3:15])[CH2:16][CH2:17][CH2:18][N:19]=[C:20]=[N:21][CH2:22][CH3:23].[CH3:70][CH2:71][N:72]=[C:73]=[N:74][CH2:75][CH2:76][CH2:77][N:78]([CH3:79])[CH3:80].[Cl:81][CH2:82][Cl:83].[ClH:12].[O:1]=[C:2]([C:3](=[O:4])[OH:5])[c:6]1[cH:7][cH:8][cH:9][cH:10][cH:11]1.[O:24]1[CH:25]([n:30]2[n:31][c:32](-[c:63]3[cH:64][c:65]([NH2:69])[cH:66][cH:67][cH:68]3)[c:33]3[cH:34][c:35](-[c:39]4[n:40][n:41]([C:44]([c:45]5[cH:46][cH:47][cH:48][cH:49][cH:50]5)([c:51]5[cH:52][cH:53][cH:54][cH:55][cH:56]5)[c:57]5[cH:58][cH:59][cH:60][cH:61][cH:62]5)[cH:42][n:43]4)[cH:36][cH:37][c:38]23)[CH2:26][CH2:27][CH2:28][CH2:29]1>>[O:1]=[C:2]([C:3](=[O:5])[NH:69][c:65]1[cH:64][c:63](-[c:32]2[n:31][n:30]([CH:25]3[O:24][CH2:29][CH2:28][CH2:27][CH2:26]3)[c:38]3[c:33]2[cH:34][c:35](-[c:39]2[n:40][n:41]([C:44]([c:45]4[cH:46][cH:47][cH:48][cH:49][cH:50]4)([c:51]4[cH:52][cH:53][cH:54][cH:55][cH:56]4)[c:57]4[cH:58][cH:59][cH:60][cH:61][cH:62]4)[cH:42][n:43]2)[cH:36][cH:37]3)[cH:68][cH:67][cH:66]1)[c:6]1[cH:7][cH:8][cH:9][cH:10][cH:11]1

Participants

6

Reactant 5

HCID 313Hydrochloric AcidHCID 6344DichloromethaneHCID 11915Phenylglyoxylic AcidHCID 159081-Ethyl-3-(3'-dimethylaminopropyl)carbodiimide2×HCID 211011823-(1-perhydro-2H-pyran-2-yl-5-[1-(triphenylmethyl)(1,2,4-triazol-3-yl)]-1H-indazol-3-yl}phenylamine

Product 1

HCID 22479873HCID 22479873, compound

Sources & evidence

ORD record
ord-2ca7299ff37844809830b091202d110e
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (7/10)

Reaction notes

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