Water → HCID 22724298, compound

HRID 696431Notes

Reaction equation

HRID 696431 reaction equation
[CH3:21][N:22]([CH3:23])[CH:24]=[O:25].[CH3:55][CH2:56][O:57][C:58](=[O:59])[CH3:60].[CH3:61][CH2:62][N:63]([CH2:64][CH3:65])[CH2:66][CH3:67].[Cl:15][C:16]([C:17]([Cl:18])=[O:19])=[O:20].[Cl:51][CH2:52][Cl:53].[NH2:26][c:27]1[cH:28][c:29](-[n:33]2[c:34]3[c:35]([n:36][c:37]([CH2:40][c:41]4[cH:42][cH:43][cH:44][cH:45][cH:46]4)[c:38]2=[O:39])[cH:47][cH:48][cH:49][n:50]3)[cH:30][cH:31][cH:32]1.[OH2:54].[OH:1][C:2](=[O:3])[CH2:4][c:5]1[cH:6][cH:7][cH:8][c:9]2[cH:10][cH:11][cH:12][cH:13][c:14]12>>[C:2](=[O:3])([CH2:4][c:5]1[cH:6][cH:7][cH:8][c:9]2[cH:10][cH:11][cH:12][cH:13][c:14]12)[NH:26][c:27]1[cH:28][c:29](-[n:33]2[c:34]3[c:35]([n:36][c:37]([CH2:40][c:41]4[cH:42][cH:43][cH:44][cH:45][cH:46]4)[c:38]2=[O:39])[cH:47][cH:48][cH:49][n:50]3)[cH:30][cH:31][cH:32]1

Participants

9

Reactant 8

HCID 962WaterHCID 6228DimethylformamideHCID 6344DichloromethaneHCID 68621-Naphthaleneacetic AcidHCID 8471TriethylamineHCID 8857Ethyl AcetateHCID 65578Oxalyl chlorideHCID 22724309HCID 22724309, compound

Product 1

HCID 22724298HCID 22724298, compound

Sources & evidence

ORD record
ord-bf48b26beab44e62b6bee7facf216909
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (3/10)

Reaction notes

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