Water → HCID 53936453, compound

HRID 1151417Notes

Reaction equation

HRID 1151417 reaction equation
[CH3:57][CH2:58][N:59]([CH2:60][CH3:61])[CH2:62][CH3:63].[CH3:7][S:8](=[O:9])(=[O:10])[c:11]1[cH:12][cH:13][c:14]([C:15](=[O:16])[OH:17])[cH:18][cH:19]1.[Cl:1][C:2]([C:3]([Cl:4])=[O:5])=[O:6].[Cl:64][CH2:65][Cl:66].[NH2:20][c:21]1[cH:22][cH:23][c:24]([CH:31]=[CH:32][c:33]2[c:34]([S:53](=[O:54])(=[O:55])[OH:56])[cH:35][c:36]([NH:39][C:40]([c:41]3[cH:42][cH:43][c:44]([O:47][CH2:48][CH2:49][O:50][CH3:51])[cH:45][cH:46]3)=[O:52])[cH:37][cH:38]2)[c:25]([S:27](=[O:28])(=[O:29])[OH:30])[cH:26]1.[O:68]=[CH:69][N:70]([CH3:71])[CH3:72].[OH2:67]>>[CH3:7][S:8](=[O:9])(=[O:10])[c:11]1[cH:12][cH:13][c:14]([C:15](=[O:17])[NH:20][c:21]2[cH:22][cH:23][c:24]([CH:31]=[CH:32][c:33]3[c:34]([S:53](=[O:54])(=[O:55])[OH:56])[cH:35][c:36]([NH:39][C:40]([c:41]4[cH:42][cH:43][c:44]([O:47][CH2:48][CH2:49][O:50][CH3:51])[cH:45][cH:46]4)=[O:52])[cH:37][cH:38]3)[c:25]([S:27](=[O:28])(=[O:29])[OH:30])[cH:26]2)[cH:18][cH:19]1

Participants

8

Reactant 7

HCID 962WaterHCID 6228DimethylformamideHCID 6344DichloromethaneHCID 8471TriethylamineHCID 65578Oxalyl chlorideHCID 77670p-(Methylsulphonyl)benzoic acidHCID 53663356HCID 53663356, compound

Product 1

HCID 53936453HCID 53936453, compound

Sources & evidence

ORD record
ord-dc23a3fc736448ceb101d449e2da0aed
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (7/10)

Reaction notes

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