Hydrochloric Acid → HCID 178477029, compound

HRID 1552070Notes

Reaction equation

HRID 1552070 reaction equation
[C:1]([CH3:2])(=[O:3])[S:4][CH:5]1[CH2:6][CH:7]([C:23]([NH:24][c:25]2[cH:26][c:27]([C:31](=[O:32])[OH:33])[cH:28][cH:29][cH:30]2)=[O:34])[N:8]([C:10](=[O:11])[O:12][CH2:13][c:14]2[cH:15][cH:16][c:17]([N+:20](=[O:21])[O-:22])[cH:18][cH:19]2)[CH2:9]1.[CH3:57][N:58]1[CH2:59][CH2:60][O:61][CH2:62][CH2:63]1.[Cl:35][C:36]([C:37]([Cl:38])=[O:39])=[O:40].[Cl:64][CH2:65][Cl:66].[ClH:41].[NH2:42][CH2:43][C:44](=[O:45])[O:46][CH2:47][c:48]1[cH:49][cH:50][c:51]([N+:54](=[O:55])[O-:56])[cH:52][cH:53]1.[O:67]=[CH:68][N:69]([CH3:70])[CH3:71]>>[C:1]([CH3:2])(=[O:3])[S:4][CH:5]1[CH2:6][CH:7]([C:23]([NH:24][c:25]2[cH:26][c:27]([C:31](=[O:33])[NH:42][CH2:43][C:44](=[O:45])[O:46][CH2:47][c:48]3[cH:49][cH:50][c:51]([N+:54](=[O:55])[O-:56])[cH:52][cH:53]3)[cH:28][cH:29][cH:30]2)=[O:34])[N:8]([C:10](=[O:11])[O:12][CH2:13][c:14]2[cH:15][cH:16][c:17]([N+:20](=[O:21])[O-:22])[cH:18][cH:19]2)[CH2:9]1

Participants

8

Reactant 7

HCID 313Hydrochloric AcidHCID 6228DimethylformamideHCID 6344DichloromethaneHCID 79724-MethylmorpholineHCID 65578Oxalyl chlorideHCID 12800846HCID 12800846, compoundHCID 178477031HCID 178477031, compound

Product 1

HCID 178477029HCID 178477029, compound

Sources & evidence

ORD record
ord-782a6ac677b34bc081ec99240c884ddf
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (1/10)

Reaction notes

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