Water → HCID 14950485, compound

HRID 697354Notes

Reaction equation

HRID 697354 reaction equation
[CH3:1][CH2:2][N:3]([CH2:4][CH3:5])[CH2:6][CH3:7].[CH3:8][S:9]([Cl:10])(=[O:11])=[O:12].[Cl:61][CH2:62][Cl:63].[OH2:64].[OH:13][CH2:14][c:15]1[c:16]([CH3:60])[n:17][c:18]([CH3:59])[cH:19][c:20]1[O:21][CH2:22][c:23]1[cH:24][cH:25][c:26](-[c:29]2[c:30](-[c:35]3[n:36][n:37][n:38]([C:40]([c:41]4[cH:42][cH:43][cH:44][cH:45][cH:46]4)([c:47]4[cH:48][cH:49][cH:50][cH:51][cH:52]4)[c:53]4[cH:54][cH:55][cH:56][cH:57][cH:58]4)[n:39]3)[cH:31][cH:32][cH:33][cH:34]2)[cH:27][cH:28]1>>[Cl:10][CH2:14][c:15]1[c:16]([CH3:60])[n:17][c:18]([CH3:59])[cH:19][c:20]1[O:21][CH2:22][c:23]1[cH:24][cH:25][c:26](-[c:29]2[c:30](-[c:35]3[n:36][n:37][n:38]([C:40]([c:41]4[cH:42][cH:43][cH:44][cH:45][cH:46]4)([c:47]4[cH:48][cH:49][cH:50][cH:51][cH:52]4)[c:53]4[cH:54][cH:55][cH:56][cH:57][cH:58]4)[n:39]3)[cH:31][cH:32][cH:33][cH:34]2)[cH:27][cH:28]1

Participants

6

Sources & evidence

ORD record
ord-b13e795460f44ef28edc3ffb7ac24aaf
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (3/10)

Reaction notes

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