Bicarbonate Ion → HCID 54234928, compound

HRID 1133734Notes

Reaction equation

[C:78](=[O:79])([OH:80])[O-:81].[CH2:83]([Cl:84])[Cl:85].[CH3:72][C:73]([N:74]([CH3:75])[CH3:76])=[O:77].[CH3:86][CH2:87][O:88][C:89](=[O:90])[CH3:91].[CH:5]([c:6]1[cH:7][cH:8][cH:9][cH:10][cH:11]1)([c:12]1[cH:13][cH:14][cH:15][cH:16][cH:17]1)[O:18][C:19](=[O:20])[C:21]1=[C:28]([CH2:29][C:30](=[O:31])[c:32]2[cH:33][cH:34][cH:35][cH:36][cH:37]2)[CH2:27][S:26](=[O:38])[CH:25]2[N:22]1[C:23](=[O:71])[CH:24]2[NH:39][C:40]([C:41]([c:42]1[n:43][c:44]([NH:47][C:48]([c:49]2[cH:50][cH:51][cH:52][cH:53][cH:54]2)([c:55]2[cH:56][cH:57][cH:58][cH:59][cH:60]2)[c:61]2[cH:62][cH:63][cH:64][cH:65][cH:66]2)[s:45][cH:46]1)=[N:67][O:68][CH3:69])=[O:70].[Cl:1][P:2]([Cl:3])[Cl:4].[Na+:82]>>[CH:5]([c:6]1[cH:7][cH:8][cH:9][cH:10][cH:11]1)([c:12]1[cH:13][cH:14][cH:15][cH:16][cH:17]1)[O:18][C:19](=[O:20])[C:21]1=[C:28]([CH2:29][C:30](=[O:31])[c:32]2[cH:33][cH:34][cH:35][cH:36][cH:37]2)[CH2:27][S:26][CH:25]2[N:22]1[C:23](=[O:71])[CH:24]2[NH:39][C:40]([C:41]([c:42]1[n:43][c:44]([NH:47][C:48]([c:49]2[cH:50][cH:51][cH:52][cH:53][cH:54]2)([c:55]2[cH:56][cH:57][cH:58][cH:59][cH:60]2)[c:61]2[cH:62][cH:63][cH:64][cH:65][cH:66]2)[s:45][cH:46]1)=[N:67][O:68][CH3:69])=[O:70]

Participants

Reactant 7

HCID 769Bicarbonate Ion

HCID 923Sodium ion

HCID 6344Dichloromethane

HCID 8857Ethyl Acetate

HCID 24387Phosphorus trichloride

HCID 31374Dimethylacetamide

HCID 54105442HCID 54105442, compound

Product 1

HCID 54234928HCID 54234928, compound

Sources & evidence

ORD record: ord-fc420628aea842e69179278d1787d75a
Source dataset: Training data from https://doi.org/10.1039/C8SC04228D (7/10)
DOI: 10.1039/C8SC04228D

Reaction notes

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