Chloroform → HCID 74928775, compound

HRID 1149977Notes

Reaction equation

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

Participants

Reactant 3

HCID 6212Chloroform

HCID 6367Acetyl chloride

HCID 7492875217-Cyclohexyl-18-[4-[2-(4 methanesulfonylpiperazin-1-yl)-5-amino-benzyloxy]phenyl]-1,4,11-triazatricyclo[11.5.2.016,19]icosa-7,13 (20),14,16(19),17-pentaene-3,12-dione

Product 1

HCID 74928775HCID 74928775, compound

Sources & evidence

ORD record: ord-bc4ecd32708e4c47b87b5ef0cf1b17fe
Source dataset: Training data from https://doi.org/10.1039/C8SC04228D (7/10)
DOI: 10.1039/C8SC04228D

Reaction notes

Loading…